[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 3-nitrobenzoate

Systemtic Name: [3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 3-nitrobenzoate Openeye Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C20H13N3O6S MolecularWeight: 423.39872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O6S/c24-20(13-5-3-7-15(11-13)23(25)26)29-16-8-4-6-14(12-16)21-19-17-9-1-2-10-18(17)30(27,28)22-19/h1-12H,(H,21,22)